Geometry & MOs

Info

ID:	160821
PubChem CID:	57389899
Reduced:	O2N5C24H37 (1)
Stoich.:	A2B5C24D37 (1)
Weight, g/mol:	439.25834
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	4.87
IP(EA), eV:	-8.37(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(7-cyclopentyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CN1CCC(CC1)OC2=NC=NC3=C2C(=C(N3C4CCCC4)C)C

DOS

IR

Vibrations